Information card for entry 1509822

Structure parameters

• Formula: C18 H18 Cu N2 O5
• Calculated formula: C18 H18 Cu N2 O5
• SMILES: [Cu]12([N]([C@@H](Cc3c[nH]c4c3cccc4)C(=O)O1)=Cc1c(O2)cccc1)[OH2].O
• Title of publication: X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers
• Authors of publication: Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós
• Journal of publication: Polyhedron
• Year of publication: 1996
• Journal volume: 15
• Pages of publication: 4407 - 4413
• a: 6.15 ± 0.002 Å
• b: 9.426 ± 0.002 Å
• c: 28.448 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1649.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No